| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:19 UTC |
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| Update Date | 2025-03-21 18:04:54 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00053494 |
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| Frequency | 60.5 |
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| Structure | |
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| Chemical Formula | C8H8NO4+ |
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| Molecular Mass | 182.0448 |
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| SMILES | O=C(O)C[n+]1cccc(C(=O)O)c1 |
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| InChI Key | CABOJBWCHSEHQK-UHFFFAOYSA-O |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | alpha amino acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compoundspyridine-3-carboxylic acidsvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativesvinylogous amidecarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundazacyclepyridine-3-carboxylic acidheteroaromatic compoundhydroxypyridinealpha-amino acid or derivativesorganic oxidepyridineorganic oxygen compoundpyridine carboxylic acidorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic cationorganoheterocyclic compoundorganooxygen compound |
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